1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one

C20H17ClN2O — CID 67269636

IUPAC1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one
SMILESO=C1CCc2c(c(-c3ccc(Cl)cc3)nn2Cc2ccccc2)C1
InChIInChI=1S/C20H17ClN2O/c21-16-8-6-15(7-9-16)20-18-12-17(24)10-11-19(18)23(22-20)13-14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyFSBDWUSTURDAFN-UHFFFAOYSA-N
MW336.82 g/mol
LogP4.31
Rot. Bonds3

About 1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one

1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one (PubChem CID 67269636) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one
PubChem CID67269636
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one
SMILESO=C1CCc2c(c(-c3ccc(Cl)cc3)nn2Cc2ccccc2)C1
InChIInChI=1S/C20H17ClN2O/c21-16-8-6-15(7-9-16)20-18-12-17(24)10-11-19(18)23(22-20)13-14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyFSBDWUSTURDAFN-UHFFFAOYSA-N
XLogP4.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one (CID 67269636) is 1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one is O=C1CCc2c(c(-c3ccc(Cl)cc3)nn2Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one?
The InChIKey is FSBDWUSTURDAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c21-16-8-6-15(7-9-16)20-18-12-17(24)10-11-19(18)23(22-20)13-14-4-2-1-3-5-14/h1-9H,10-13H2.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one?
1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one has a molecular weight of 336.82 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one is sourced from PubChem (CID 67269636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).